| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 14th, 2011 | 20 | Yes |
Popular Name: (2S)-1-[(2-butyl-5-chloro-1H-imidazol-4-yl)methyl]-2-methyl-1,4-diazepan-5-one (2S)-1-[(2-butyl-5-chloro-1H-imi…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.06 | 5.61 | -38.82 | 3 | 5 | 1 | 62 | 299.826 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 3.6 | -10.32 | 2 | 5 | 0 | 61 | 298.818 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.06 | 3.51 | -38.88 | 3 | 5 | 1 | 62 | 299.826 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
